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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL339943
Molecular formula	C47H69N11O9S2
IUPAC name	(11S,14R,17S,20R,23R)-N-[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carboxamide
Molecular weight	996.257
Hydrogen bond acceptor	12
Hydrogen bond donor	10
XlogP	1.7
Synonyms	BDBM50016752 N1-[1-(1-Carbamoyl-4-guanidino-butylcarbamoyl)-2-mercapto-ethyl]-2-[2-(2-{3-(4-ethoxy-phenyl)-2-[2-(1-mercapto-cyclohexyl)-acetylamino]-propionylamino}-3-phenyl-propionylamino)-3-methyl-butyrylamino]-succinamide
Inchi Key	GKYQXENNXMLCDY-YHYOEJKBSA-N
Inchi ID	InChI=1S/C47H69N11O9S2/c1-4-67-31-17-15-30(16-18-31)23-33-41(62)55-34(22-29-12-7-5-8-13-29)43(64)58-39(28(2)3)45(66)56-35(24-37(48)59)42(63)57-36(44(65)54-32(40(49)61)14-11-21-52-46(50)51)26-68-27-69-47(25-38(60)53-33)19-9-6-10-20-47/h5,7-8,12-13,15-18,28,32-36,39H,4,6,9-11,14,19-27H2,1-3H3,(H2,48,59)(H2,49,61)(H,53,60)(H,54,65)(H,55,62)(H,56,66)(H,57,63)(H,58,64)(H4,50,51,52)/t32-,33-,34-,35-,36-,39+/m1/s1
PubChem CID	44351500
ChEMBL	CHEMBL339943
IUPHAR	N/A
BindingDB	50016752
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
99128	Vasopressin V2 receptor	P32307	AVPR2	Sus scrofa (Pig)	370
99129	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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